2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide

C22H25FN6O — CID 46865922

IUPAC2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN6O/c1-14(2)12-26-22(30)17-10-19(27-15(3)16-4-6-18(23)7-5-16)28-20(11-17)29-21-13-24-8-9-25-21/h4-11,13-15H,12H2,1-3H3,(H,26,30)(H2,25,27,28,29)/t15-/m0/s1
InChIKeyQFDNQYIZRBLVGI-HNNXBMFYSA-N
MW408.48 g/mol
LogP4.31
Rot. Bonds8

About 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide (PubChem CID 46865922) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
PubChem CID46865922
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN6O/c1-14(2)12-26-22(30)17-10-19(27-15(3)16-4-6-18(23)7-5-16)28-20(11-17)29-21-13-24-8-9-25-21/h4-11,13-15H,12H2,1-3H3,(H,26,30)(H2,25,27,28,29)/t15-/m0/s1
InChIKeyQFDNQYIZRBLVGI-HNNXBMFYSA-N
XLogP4.31
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide (CID 46865922) is 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide is CC(C)CNC(=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
The InChIKey is QFDNQYIZRBLVGI-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-14(2)12-26-22(30)17-10-19(27-15(3)16-4-6-18(23)7-5-16)28-20(11-17)29-21-13-24-8-9-25-21/h4-11,13-15H,12H2,1-3H3,(H,26,30)(H2,25,27,28,29)/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide is sourced from PubChem (CID 46865922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).